5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine

C4H4F3N3S — CID 43649092

IUPAC5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CC(F)(F)F)s1
InChIInChI=1S/C4H4F3N3S/c5-4(6,7)1-2-9-10-3(8)11-2/h1H2,(H2,8,10)
InChIKeyCDSRXGMMNMKIAT-UHFFFAOYSA-N
MW183.16 g/mol
LogP1.23
Rot. Bonds1

About 5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine

5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 43649092) has the molecular formula C4H4F3N3S and a molecular weight of 183.16 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
PubChem CID43649092
Molecular FormulaC4H4F3N3S
Molecular Weight183.16 g/mol
Exact Mass183.01
IUPAC Name5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CC(F)(F)F)s1
InChIInChI=1S/C4H4F3N3S/c5-4(6,7)1-2-9-10-3(8)11-2/h1H2,(H2,8,10)
InChIKeyCDSRXGMMNMKIAT-UHFFFAOYSA-N
XLogP1.23
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine (CID 43649092) is 5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(CC(F)(F)F)s1.
What is the InChIKey of 5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is CDSRXGMMNMKIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3S/c5-4(6,7)1-2-9-10-3(8)11-2/h1H2,(H2,8,10).
What are the key properties of 5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 183.16 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 43649092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).